10-fluorododec-1-en-11-yne

C12H19F — CID 74931972

IUPAC10-fluorododec-1-en-11-yne
SMILESC#CC(F)CCCCCCCC=C
InChIInChI=1S/C12H19F/c1-3-5-6-7-8-9-10-11-12(13)4-2/h2-3,12H,1,5-11H2
InChIKeyXXNPAEBNIPARMY-UHFFFAOYSA-N
MW182.28 g/mol
LogP3.87
Rot. Bonds8

About 10-fluorododec-1-en-11-yne

10-fluorododec-1-en-11-yne (PubChem CID 74931972) has the molecular formula C12H19F and a molecular weight of 182.28 g/mol. Its IUPAC name is 10-fluorododec-1-en-11-yne.

Molecular Properties

Compound Name10-fluorododec-1-en-11-yne
PubChem CID74931972
Molecular FormulaC12H19F
Molecular Weight182.28 g/mol
Exact Mass182.15
IUPAC Name10-fluorododec-1-en-11-yne
SMILESC#CC(F)CCCCCCCC=C
InChIInChI=1S/C12H19F/c1-3-5-6-7-8-9-10-11-12(13)4-2/h2-3,12H,1,5-11H2
InChIKeyXXNPAEBNIPARMY-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-fluorododec-1-en-11-yne?
The IUPAC name of 10-fluorododec-1-en-11-yne (CID 74931972) is 10-fluorododec-1-en-11-yne.
What is the SMILES notation for 10-fluorododec-1-en-11-yne?
The canonical SMILES for 10-fluorododec-1-en-11-yne is C#CC(F)CCCCCCCC=C.
What is the InChIKey of 10-fluorododec-1-en-11-yne?
The InChIKey is XXNPAEBNIPARMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F/c1-3-5-6-7-8-9-10-11-12(13)4-2/h2-3,12H,1,5-11H2.
What are the key properties of 10-fluorododec-1-en-11-yne?
10-fluorododec-1-en-11-yne has a molecular weight of 182.28 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluorododec-1-en-11-yne is sourced from PubChem (CID 74931972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).